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- Virtual Screening in Drug Discovery
Virtual Screening in Drug Discovery
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With millions of compounds available for screening and thousands of gene products as potential targets for therapeutic intervention, high-throughput screening (HTS) requires extensive libraries and automated screening systems to discover adequate leads for drug development. This can become expensive, and in recent years has proven minimally effective. Virtual screening uses computational tools to identify biologically active molecules against specific targets. By pre-qualifying compounds for testing, this method reduces costs and increases hit rates by eliminating the need for robotics, reagent acquisition or production, and compound storage facilities. This text explores the algorithms involved and their uses in virtual screening.
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